N-[(1,1-dioxothiolan-2-yl)methyl]-6-(methylamino)pyridine-3-sulfonamide

C11H17N3O4S2 — CID 81040530

IUPACN-[(1,1-dioxothiolan-2-yl)methyl]-6-(methylamino)pyridine-3-sulfonamide
SMILESCNc1ccc(S(=O)(=O)NCC2CCCS2(=O)=O)cn1
InChIInChI=1S/C11H17N3O4S2/c1-12-11-5-4-10(7-13-11)20(17,18)14-8-9-3-2-6-19(9,15)16/h4-5,7,9,14H,2-3,6,8H2,1H3,(H,12,13)
InChIKeySXJZMEJQRCOLTA-UHFFFAOYSA-N
MW319.41 g/mol
LogP-0.02
Rot. Bonds5

About N-[(1,1-dioxothiolan-2-yl)methyl]-6-(methylamino)pyridine-3-sulfonamide

N-[(1,1-dioxothiolan-2-yl)methyl]-6-(methylamino)pyridine-3-sulfonamide (PubChem CID 81040530) has the molecular formula C11H17N3O4S2 and a molecular weight of 319.41 g/mol. Its IUPAC name is N-[(1,1-dioxothiolan-2-yl)methyl]-6-(methylamino)pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-[(1,1-dioxothiolan-2-yl)methyl]-6-(methylamino)pyridine-3-sulfonamide
PubChem CID81040530
Molecular FormulaC11H17N3O4S2
Molecular Weight319.41 g/mol
Exact Mass319.07
IUPAC NameN-[(1,1-dioxothiolan-2-yl)methyl]-6-(methylamino)pyridine-3-sulfonamide
SMILESCNc1ccc(S(=O)(=O)NCC2CCCS2(=O)=O)cn1
InChIInChI=1S/C11H17N3O4S2/c1-12-11-5-4-10(7-13-11)20(17,18)14-8-9-3-2-6-19(9,15)16/h4-5,7,9,14H,2-3,6,8H2,1H3,(H,12,13)
InChIKeySXJZMEJQRCOLTA-UHFFFAOYSA-N
XLogP-0.02
TPSA105.23 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 5-0.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(4-ethylcyclohexyl)methyl]-6-(methylamino)pyridine-3-sulfonamide
CID 62152225
N-[(1,1-dioxothiolan-2-yl)methyl]-2-hydrazinylpyridine-4-sulfonamide
CID 81040484
N-[(1,1-dioxothiolan-2-yl)methyl]-6-oxo-1H-pyridine-3-sulfonamide
CID 81040838
3-amino-N-[(1,1-dioxothiolan-2-yl)methyl]-4-fluorobenzenesulfonamide
CID 81039346
3-amino-5-chloro-N-[(1,1-dioxothiolan-2-yl)methyl]-4-methylbenzenesulfonamide
CID 81041486
2-amino-N-[(1,1-dioxothiolan-2-yl)methyl]-4-methylbenzenesulfonamide
CID 81038747
6-(methylamino)-N-[(4-methylmorpholin-2-yl)methyl]pyridine-3-sulfonamide
CID 79071689
2-amino-N-[(1,1-dioxothiolan-2-yl)methyl]-3,6-dimethylbenzenesulfonamide
CID 103171663
N-(2,2-dimethylcyclohexyl)-6-(methylamino)pyridine-3-sulfonamide
CID 79873051
2-amino-N-[(1,1-dioxothiolan-2-yl)methyl]-4,5-dimethylbenzenesulfonamide
CID 81041483
N-[(1,1-dioxothiolan-2-yl)methyl]-3-(ethylamino)pyridine-2-sulfonamide
CID 103306610
6-(methylamino)-N-(1-methylcyclohexyl)pyridine-3-sulfonamide
CID 62158085

Frequently Asked Questions

What is the IUPAC name of N-[(1,1-dioxothiolan-2-yl)methyl]-6-(methylamino)pyridine-3-sulfonamide?
The IUPAC name of N-[(1,1-dioxothiolan-2-yl)methyl]-6-(methylamino)pyridine-3-sulfonamide (CID 81040530) is N-[(1,1-dioxothiolan-2-yl)methyl]-6-(methylamino)pyridine-3-sulfonamide.
What is the SMILES notation for N-[(1,1-dioxothiolan-2-yl)methyl]-6-(methylamino)pyridine-3-sulfonamide?
The canonical SMILES for N-[(1,1-dioxothiolan-2-yl)methyl]-6-(methylamino)pyridine-3-sulfonamide is CNc1ccc(S(=O)(=O)NCC2CCCS2(=O)=O)cn1.
What is the InChIKey of N-[(1,1-dioxothiolan-2-yl)methyl]-6-(methylamino)pyridine-3-sulfonamide?
The InChIKey is SXJZMEJQRCOLTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O4S2/c1-12-11-5-4-10(7-13-11)20(17,18)14-8-9-3-2-6-19(9,15)16/h4-5,7,9,14H,2-3,6,8H2,1H3,(H,12,13).
What are the key properties of N-[(1,1-dioxothiolan-2-yl)methyl]-6-(methylamino)pyridine-3-sulfonamide?
N-[(1,1-dioxothiolan-2-yl)methyl]-6-(methylamino)pyridine-3-sulfonamide has a molecular weight of 319.41 g/mol, XLogP of -0.02, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,1-dioxothiolan-2-yl)methyl]-6-(methylamino)pyridine-3-sulfonamide is sourced from PubChem (CID 81040530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).